16-Oxoalisol A

Base Information

• Chemical Name: 16-Oxoalisol A
• CAS No.: 124515-98-6
• Molecular Formula: C30H48O6
• Molecular Weight: 504.7
• ChEMBL ID: CHEMBL4518138
• Nikkaji Number: J1.602.819C

Synonyms:16-Oxoalisol A;124515-98-6;CHEMBL4518138;(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthrene-3,16-dione;HY-N7950;BDBM50528880;AKOS040760186;FS-7800;CS-0138871

Chemical Property of 16-Oxoalisol A

Chemical Property:

• PKA: 14.24±0.20(Predicted)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 504.34508925
• Heavy Atom Count: 36
• Complexity: 980

Purity/Quality:

≥95% ^*data from raw suppliers

16-OxoalisolA ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(CC(C(C(C)(C)O)O)O)C1=C2CC(C3C4(CCC(=O)C(C4CCC3(C2(CC1=O)C)C)(C)C)C)O
• Isomeric SMILES: C[C@H](C[C@@H]([C@H](C(C)(C)O)O)O)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1=O)C)C)(C)C)C)O

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